[methyl(propyl)sulfamoyl]amine

• ChemBase ID: 237528
• Molecular Formular: C4H12N2O2S
• Molecular Mass: 152.21528
• Monoisotopic Mass: 152.06194863
• SMILES: S(=O)(=O)(N(CCC)C)N
• Canonical SMILES: CCCN(S(=O)(=O)N)C
• InChI: InChI=1S/C4H12N2O2S/c1-3-4-6(2)9(5,7)8/h3-4H2,1-2H3,(H2,5,7,8)
• InChIKey: ONCMCWYFMOGPKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [methyl(propyl)sulfamoyl]amine
• IUPAC Traditional name: [methyl(propyl)sulfamoyl]amine
• Synonyms: [methyl(propyl)sulfamoyl]amine

Database IDs

• MDL Number: MFCD11627425
• PubChem SID: 164293438
• PubChem CID: 43271536

CALCULATED PROPERTIES

• Acid pKa: 11.771727
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.66462165
• LogD (pH = 7.4): -0.6646378
• Log P: -0.6646214
• Molar Refractivity: 35.9076 cm^3
• Polarizability: 14.991998 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 32 - 34°C
• Hydrophobicity(logP): 0.251

Product Information

• Purity: 95%